7,8-diethoxy-5-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7,8-diethoxy-5-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7,8-diethoxy-5-[4-(2-morpholinoethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 7,8-diethoxy-5-[4-[2-(4-morpholinyl)ethyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 7,8-diethoxy-5-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 7,8-diethoxy-5-[4-(2-morpholinoethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)CCN4CCOCC4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)CCN4CCOCC4)OCC

InChI

InChI=1S/C25H31N3O4/c1-3-31-22-15-20-21(16-23(22)32-4-2)27-24(29)17-26-25(20)19-7-5-18(6-8-19)9-10-28-11-13-30-14-12-28/h5-8,15-16H,3-4,9-14,17H2,1-2H3,(H,27,29)